On the applicability of a wavefunction-free, energy-based procedure for generating first-order non-adiabatic couplings around conical intersections - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal of Chemical Physics Année : 2017
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hal-02343838 , version 1 (03-11-2019)

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Benjamin Gonon, Aurelie Perveaux, Fabien Gatti, David Lauvergnat, Benjamin Lasorne. On the applicability of a wavefunction-free, energy-based procedure for generating first-order non-adiabatic couplings around conical intersections. Journal of Chemical Physics, 2017, 147 (11), pp.114114. ⟨10.1063/1.4991635⟩. ⟨hal-02343838⟩
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